SCHEMBL22795014

SCHEMBL22795014

CCCCOCCCN1CCN(Cc2ccc(C(C)C)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
TP53 P04637 2/20 0.51
HPGD P15428 1/20 0.51
GAA P10253 1/20 0.51
HRH3 Q9Y5N1 9/20 0.50
TSHR P16473 1/20 0.49
ACHE P22303 1/20 0.49
RAD52 P43351 1/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM2 P08172 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HRH1 P35367 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22794246 0.97 ALDH1A1 (0.54) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL22795009 0.96 ALDH1A1 (0.53) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL24514285 0.96 ALDH1A1 (0.53) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL22795022 0.96 RAB9A (0.53) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL25109381 0.96 ALDH1A1 (0.53) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL24514523 0.96 ALDH1A1 (0.53) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL25481326 0.92 RAB9A (0.52) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL22794244 0.90 MEN1 (0.52) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL25481059 0.88 ALDH1A1 (0.51) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL25108871 0.88 MEN1 (0.50) MEN1KMT2AALDH1A1HRH3ACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022125804-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 WO disclosed
WO-2020251971-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed